#SLAB ending TiO2 double layer
# N=9
# paralelectric configuration
#Supercell and atoms

acell 4.0 4.0 28.0 Angstrom
            xcart      0.0000000000E+00  0.0000000000E+00 -4.2633349730E+00
                       3.7794522658E+00  3.7794522658E+00 -3.2803418097E+00
                       0.0000000000E+00  3.7794522658E+00 -3.6627278067E+00
                       3.7794522658E+00  0.0000000000E+00  6.5250113947E-01
                       0.0000000000E+00  3.7794522658E+00 -1.0555036964E-01
                       3.7794522658E+00  3.7794522658E+00  3.2682166278E-01
                       0.0000000000E+00  0.0000000000E+00  3.9815918094E+00
                       3.7794522658E+00  3.7794522658E+00  4.0167907030E+00
                       3.7794522658E+00  0.0000000000E+00  7.7541444349E+00
                       0.0000000000E+00  3.7794522658E+00  7.6664087705E+00
                       3.7794522658E+00  3.7794522658E+00  7.7182324796E+00
                       0.0000000000E+00  0.0000000000E+00  1.1412913350E+01
                       3.7794522658E+00  3.7794522658E+00  1.1416615533E+01
                       3.7794522658E+00  0.0000000000E+00  1.5117809063E+01
                       0.0000000000E+00  3.7794522658E+00  1.5117809063E+01
                       3.7794522658E+00  3.7794522658E+00  1.5117809063E+01
                       0.0000000000E+00  0.0000000000E+00  1.8822704777E+01
                       3.7794522658E+00  3.7794522658E+00  1.8819002593E+01
                       3.7794522658E+00  0.0000000000E+00  2.2481473692E+01
                       0.0000000000E+00  3.7794522658E+00  2.2569209355E+01
                       3.7794522658E+00  3.7794522658E+00  2.2517385647E+01
                       0.0000000000E+00  0.0000000000E+00  2.6254026317E+01
                       3.7794522658E+00  3.7794522658E+00  2.6218827423E+01
                       3.7794522658E+00  0.0000000000E+00  2.9583116986E+01
                       0.0000000000E+00  3.7794522658E+00  3.0341168496E+01
                       3.7794522658E+00  3.7794522658E+00  2.9908796464E+01
                       0.0000000000E+00  0.0000000000E+00  3.4498953099E+01
                       3.7794522658E+00  3.7794522658E+00  3.3515959935E+01
                       0.0000000000E+00  3.7794522658E+00  3.3898345933E+01

ntypat 3

znucl 56 22 8
typat 3 3 2 3 3 2 1 3 3 3 2 1 3 3 3 2 1 3 3 3 2 1 3 3 3 2 3 3 2
natom 29
nband 120

#electronic structure
ecut 15.0
nstep 50
ngkpt 4 4 1
kptopt 1
tolwfr 1.0d-22
iprcel 45

prtden 0

paral_kgb 1
fftalg 401  # Needed to preserve old behaviour
npkpt 4
npband 6
npfft  1

 pp_dirpath "$ABI_PSPDIR"
 pseudos "56ba.psp_mod, 22ti.psp_mod, 8o.psp_mod"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = tdfpt_03.in, tdfpt_04.in
#%% [files]
#%% [paral_info]
#%% max_nprocs = 24
#%% nprocs_to_test = 24
#%% [NCPU_24]
#%% files_to_test = tdfpt_03_MPI24.out, tolnlines = 40, tolabs = 3.0e-6, tolrel= 6.0e-1, fld_options = -medium
#%% post_commands = 
#%%   ww_cp tdfpt_03_MPI24o_WFK tdfpt_04_MPI24i_WFK;
#%%   ww_mv tdfpt_03_MPI24o_WFK tdfpt_04_MPI24i_WFQ'
#%% [extra_info]
#%% keywords = NC
#%% description = BaTiO3 linear response calculation
#%%<END TEST_INFO>